data_AVS_bmrb_pdb_report_16254 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16254 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 1 ALA Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 16254 1 1 1 1 6 ILE Anomalous Suspicious Suspicious Indeterminable Anomalous Consistent "CG1 > CG2" 0.9944 16254 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 1 ALA C 172.700 . 177.74 2.13 1.7972e-02 16254 1 1 1 1 1 ALA CA 51.200 . 53.14 1.98 3.2719e-01 16254 1 1 1 1 1 ALA CB 19.200 . 19.01 1.83 9.1731e-01 16254 1 1 1 1 1 ALA N 41.700 A 123.23 3.54 0.0000e+00 16254 1 1 1 1 6 ILE C 174.300 . 175.85 1.92 4.1950e-01 16254 1 1 1 1 6 ILE CA 58.150 . 61.61 2.68 1.9669e-01 16254 1 1 1 1 6 ILE CB 42.850 . 38.63 2.02 3.6698e-02 16254 1 1 1 1 6 ILE CG1 16.850 S 27.71 1.68 1.0178e-10 16254 1 1 1 1 6 ILE CG2 29.900 A 17.53 1.36 9.4076e-20 16254 1 1 1 1 6 ILE CD1 11.800 . 13.43 1.67 3.2904e-01 16254 1 1 1 1 6 ILE N 122.300 . 121.46 4.28 8.4441e-01 16254 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 1 ALA ALA 0.98 16254 1 1 1 1 1 ALA CYS 0.01 16254 1 1 1 1 6 ILE CYS 0.91 16254 1 1 1 1 6 ILE GLY 0.06 16254 1 1 1 1 6 ILE ALA 0.02 16254 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16254 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 16254 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16254 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16254 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16254 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_